4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine

C17H17BrN2 — CID 114606618

IUPAC4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
SMILESBrc1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)n1
InChIInChI=1S/C17H17BrN2/c18-16-10-15(19-17(20-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyZUOUWUNCPPPVPT-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.05
Rot. Bonds3

About 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine

4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine (PubChem CID 114606618) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
PubChem CID114606618
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine
SMILESBrc1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)n1
InChIInChI=1S/C17H17BrN2/c18-16-10-15(19-17(20-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2
InChIKeyZUOUWUNCPPPVPT-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine?
The IUPAC name of 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine (CID 114606618) is 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine?
The canonical SMILES for 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine is Brc1cc(-c2cccc(C3CCC3)c2)nc(C2CC2)n1.
What is the InChIKey of 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine?
The InChIKey is ZUOUWUNCPPPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c18-16-10-15(19-17(20-16)12-7-8-12)14-6-2-5-13(9-14)11-3-1-4-11/h2,5-6,9-12H,1,3-4,7-8H2.
What are the key properties of 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine?
4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine has a molecular weight of 329.24 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(3-cyclobutylphenyl)-2-cyclopropylpyrimidine is sourced from PubChem (CID 114606618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).